2,5-dichloro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzenesulfonamide
Formula:C17H18NO2Cl2FS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2,5-dichloro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzenesulfonamide is a drug-like molecule.
| MolName | 2,5-dichloro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzenesulfonamide |
| MolecularFormula | C17H18NO2Cl2FS2 |
| Smiles | CC(C)(CNS(c(cc(cc1)Cl)c1Cl)(=O)=O)SCc(cc1)ccc1F |
| InChI | InChI=1S/C17H18Cl2FNO2S2/c1-17(2,24-10-12-3-6-14(20)7-4-12)11-21-25(22,23)16-9-13(18)5-8-15(16)19/h3-9,21H,10-11H2,1-2H3 |
| InChIK | KHMVXDIFKBJOLX-UHFFFAOYSA-N |
| TotalMolweight | 422.371 |
| Molweight | 422.371 |
| MonoisotopicMass | 421.014001 |
| CLogP | 4.9296 |
| CLogS | -5.589 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 290.19 |
| Relative PSA | 0.19825 |
| PolarSurfaceArea | 79.85 |
| Druglikeness | 0.89167 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2,5-dichloro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzenesulfonamide | 2 - 2,5-dichloro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzenesulfonamide
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